Browse entries in the PDBbind-CN Database

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Related entries of code: 3c1n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ajeRCSB PDB    PDBbindTHR

Entry Information
PDB ID3c1n
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProbable aspartokinase
Ligand NameTHR
EC.Number E.C.2.7.2.4
Resolution 2.72(Å)
Affinity (Kd/Ki/IC50)Kd=3.13uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Biol.Chem. Vol. 283: pp. 16216-16225
Ligand Properties
Formula C4H10NO3
Molecular Weight 120.127
Exact Mass 120.066
No. of atoms 18
No. of bonds 17
Polar Surface Area 85.17
LOGP Value -2.73      (Computed with XLOGP3)
-1.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q57991  
Entrez Gene IDNCBI Entrez Gene ID: 1451436  
ASDInformation of known allosteric effects of PDB entries

 
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